N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine

C17H28N2 — CID 115210269

IUPACN-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
SMILESCC(C)(C)c1ccc(CNCCC2CCCN2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)13-18-12-10-16-5-4-11-19-16/h6-9,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyWYNXZDJAPRLZEE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine

N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine (PubChem CID 115210269) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
PubChem CID115210269
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
SMILESCC(C)(C)c1ccc(CNCCC2CCCN2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)13-18-12-10-16-5-4-11-19-16/h6-9,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyWYNXZDJAPRLZEE-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
N-(1,3-benzoxazol-6-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210326
N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
CID 143196331
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115210503
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine (CID 115210269) is N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine is CC(C)(C)c1ccc(CNCCC2CCCN2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine?
The InChIKey is WYNXZDJAPRLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)13-18-12-10-16-5-4-11-19-16/h6-9,16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine?
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 115210269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).